SCHEMBL5963481

SCHEMBL5963481

CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)C1(NC(=O)[C@@H](SC(C)=O)C2CCOCC2)CCCC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.45
TP53 P04637 2/20 0.43
LMNA P02545 1/20 0.43
THRB P10828 1/20 0.43
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
TACR1 P25103 4/20 0.42
KMT2A Q03164 2/20 0.41
GHSR Q92847 1/20 0.40
MEN1 O00255 1/20 0.40
HCRTR1 O43613 1/20 0.40
ECE1 P42892 1/20 0.40
ACE P12821 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5963727 0.91 ITGB2 (0.48) KMT2AECE1ACE
SCHEMBL5963197 0.90 MAPT (0.47) MAPTTP53LMNATHRBMMP2
SCHEMBL5963627 0.82 TACR2 (0.43) LMNAACE
SCHEMBL5963487 0.81 TACR2 (0.45)
SCHEMBL5964517 0.80 ACE (0.52) ECE1ACE
SCHEMBL5964512 0.80 ACE (0.52) ECE1ACE
SCHEMBL1837855 0.76 KMT2A (0.50) MAPTTP53MMP2TACR1KMT2A
SCHEMBL5963673 0.74 ACE (0.48) MAPTTP53LMNATHRBMMP2
SCHEMBL11184866 0.72 MMP2 (0.59) MAPTTP53LMNATHRBMMP2
SCHEMBL7230352 0.71 ACE (0.61) ECE1ACE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1430045-B1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS NOVARTIS AG (CH) 2006-10-11 EP disclosed
US-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors FINK CYNTHIA A 2006-08-31 US disclosed
US-7071169-B2 Pyrane derivatives as both ACE-and NEP-inhibitors NOVARTIS AG (CH) 2006-07-04 US disclosed
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors FINK CYNTHIA ANNE (US) 2004-12-30 US disclosed
EP-1430045-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP-INHIBITORS Novartis AG (CH) 2004-06-23 EP disclosed
WO-2003027091-A1 PYRANE DERIVATIVES AS BOTH ACE- AND NEP- INHIBITORS NOVARTIS AG (CH) 2003-04-03 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060194742-A1 Pyrane derivatives as both ACE- and NEP-inhibitors ECE1, ECE2, AGTR1 MAPT 1408/4885TP53 2741/4885LMNA 1277/4885
US-20040266698-A1 Pyrane derivatives as both ace-and nep-inhibitors ECE1, AGTR1, ACE MAPT 1490/4885TP53 3933/4885LMNA 1122/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.